1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine

C16H19Br2NS2 — CID 66161598

IUPAC1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(Br)c1)Cc1cc(Br)cs1
InChIInChI=1S/C16H19Br2NS2/c1-2-6-19-14(9-16-8-13(18)10-20-16)11-21-15-5-3-4-12(17)7-15/h3-5,7-8,10,14,19H,2,6,9,11H2,1H3
InChIKeyOFZJCTKUBOYPAC-UHFFFAOYSA-N
MW449.28 g/mol
LogP5.98
Rot. Bonds8

About 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine

1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine (PubChem CID 66161598) has the molecular formula C16H19Br2NS2 and a molecular weight of 449.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
PubChem CID66161598
Molecular FormulaC16H19Br2NS2
Molecular Weight449.28 g/mol
Exact Mass446.93
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(Br)c1)Cc1cc(Br)cs1
InChIInChI=1S/C16H19Br2NS2/c1-2-6-19-14(9-16-8-13(18)10-20-16)11-21-15-5-3-4-12(17)7-15/h3-5,7-8,10,14,19H,2,6,9,11H2,1H3
InChIKeyOFZJCTKUBOYPAC-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.28
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
1-(3-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79184974
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 66161206
1-(4-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-propylpropan-2-amine
CID 115847659
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
1-(3-bromophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66159440
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine (CID 66161598) is 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine is CCCNC(CSc1cccc(Br)c1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine?
The InChIKey is OFZJCTKUBOYPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NS2/c1-2-6-19-14(9-16-8-13(18)10-20-16)11-21-15-5-3-4-12(17)7-15/h3-5,7-8,10,14,19H,2,6,9,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine?
1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine has a molecular weight of 449.28 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 66161598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).